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CHEMBRIDGE-ZINC01140727

 MMsINC code: MMs00669717
Type: Neutral
Formula: C23H28N2O3
SMILES:   O(CC(=O)NC1CCCCC1)c1ccccc1C(=O)Nc1cccc(C)c1C
InChI:   InChI=1/C23H28N2O3/c1-16-9-8-13-20(17(16)2)25-23(27)19-12-6-7-14-21(19)28-15-22(26)24-18-10-4-3-5-11-18/h6-9,12-14,18H,3-5,10-11,15H2,1-2H3,(H,24,26)(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.488 g/mol  logS: -5.68335  SlogP: 4.38344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0315574  Sterimol/B1: 2.99849  Sterimol/B2: 3.19112  Sterimol/B3: 3.74383
  Sterimol/B4: 10.2347  Sterimol/L: 18.8694 
 
 Surface and Volume Properties
  Accessible surface: 688.899  Positive charged surface: 465.779  Negative charged surface: 223.119  Volume: 385.25
  Hydrophobic surface: 624.134  Hydrophilic surface: 64.765
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.